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1166756-84-8 | Benzoic acid, 4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-, ethyl ester
CAS No: 1166756-84-8 Catalog No: AG000CYU MDL No:MFCD12198879
Product Description
Catalog Number:
AG000CYU
Chemical Name:
Benzoic acid, 4-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-, ethyl ester
CAS Number:
1166756-84-8
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
MDL Number:
MFCD12198879
IUPAC Name:
ethyl 4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)benzoate
InChI:
InChI=1S/C14H16N2O3/c1-4-18-14(17)11-7-5-10(6-8-11)12-15-13(9(2)3)19-16-12/h5-9H,4H2,1-3H3
InChI Key:
CMVZZJVJFHEEGS-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1noc(n1)C(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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